2-tert-butyl-4-methoxy-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+)

Systemtic Name: 2-tert-butyl-4-methoxy-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+) Openeye Name: 2-tert-butyl-4-methoxy-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+) CAS Name: 2-tert-butyl-4-methoxyphenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+) IUPAC Name: 2-tert-butyl-4-methoxyphenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+) Traditional Name: 2-tert-butyl-4-methoxy-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+) Formula: C43H51N2O2Ti-2 MolecularWeight: 675.74424

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Descriptors Computed from Structure

Canonical SMILES:

C.[CH3-].[CH3-].CC(C)(C)C1=C(C=CC(=C1)OC)O.[CH-]1C=CC=C1.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Ti+3]

Isomeric SMILES

C.[CH3-].[CH3-].CC(C)(C)C1=C(C=CC(=C1)OC)O.[CH-]1C=CC=C1.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Ti+3]

InChI

InChI=1S/2C12H10N.C11H16O2.C5H5.CH4.2CH3.Ti/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-2-4-5-3-1;;;;/h2*1-10H;5-7,12H,1-4H3;1-5H;1H4;2*1H3;/q2*-1;;-1;;2*-1;+3